2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-methyl-2-morpholin-4-yl-pentyl)ethanamide

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-methyl-2-morpholin-4-yl-pentyl)ethanamide Openeye Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-methyl-2-morpholino-pentyl)acetamide CAS Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[4-methyl-2-(4-morpholinyl)pentyl]acetamide IUPAC Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide Traditional Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-methyl-2-morpholino-pentyl)acetamide Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)OC)N3CCOCC3

Isomeric SMILES

CC(C)CC(CNC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)OC)N3CCOCC3

InChI

InChI=1S/C21H31N5O3S/c1-15(2)12-17(25-8-10-29-11-9-25)13-22-19(27)14-26-20(23-24-21(26)30)16-4-6-18(28-3)7-5-16/h4-7,15,17H,8-14H2,1-3H3,(H,22,27)(H,24,30)